formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide

C18H31N5O6 — CID 154904425

IUPACformic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCCN1CCOCC1.O=CO.O=CO
InChIInChI=1S/C16H27N5O2.2CH2O2/c22-16(18-5-7-20-8-10-23-11-9-20)13-21-6-3-15(19-21)14-2-1-4-17-12-14;2*2-1-3/h3,6,14,17H,1-2,4-5,7-13H2,(H,18,22);2*1H,(H,2,3)
InChIKeyGDCCWVPYXWQRBJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP-0.80
Rot. Bonds6

About formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide

formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (PubChem CID 154904425) has the molecular formula C18H31N5O6 and a molecular weight of 413.48 g/mol. Its IUPAC name is formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound Nameformic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
PubChem CID154904425
Molecular FormulaC18H31N5O6
Molecular Weight413.48 g/mol
Exact Mass413.23
IUPAC Nameformic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc(C2CCCNC2)n1)NCCN1CCOCC1.O=CO.O=CO
InChIInChI=1S/C16H27N5O2.2CH2O2/c22-16(18-5-7-20-8-10-23-11-9-20)13-21-6-3-15(19-21)14-2-1-4-17-12-14;2*2-1-3/h3,6,14,17H,1-2,4-5,7-13H2,(H,18,22);2*1H,(H,2,3)
InChIKeyGDCCWVPYXWQRBJ-UHFFFAOYSA-N
XLogP-0.80
TPSA146.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954
N-(2-phenoxyethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119072989
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428752
N-[3-(2-fluorophenyl)propyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126443272
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126438280
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 119059529
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448055

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The IUPAC name of formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (CID 154904425) is formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The canonical SMILES for formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is O=C(Cn1ccc(C2CCCNC2)n1)NCCN1CCOCC1.O=CO.O=CO.
What is the InChIKey of formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The InChIKey is GDCCWVPYXWQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.2CH2O2/c22-16(18-5-7-20-8-10-23-11-9-20)13-21-6-3-15(19-21)14-2-1-4-17-12-14;2*2-1-3/h3,6,14,17H,1-2,4-5,7-13H2,(H,18,22);2*1H,(H,2,3).
What are the key properties of formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide has a molecular weight of 413.48 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(2-morpholin-4-ylethyl)-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 154904425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).